Methyl 2-fluoro-5-nitrobenzoate 2-氟-5-硝基苯甲酸甲酯

CAS 2965-22-2 MFCD06203689

化学结构图

2965-22-2
SMILES: COC(=O)c1cc([N+](=O)[O-])ccc1F

化学属性

Mol. FormulaC8H6FNO4
Mol. Weight199.14
Melting Point49-51°C
Flash Point137°C
Boiling Point302.8°C at 760 mmHg
Density1.388

别名和识别编码

Chemical NameMethyl 2-Fluoro-5-Nitrobenzoate
CAS Number2965-22-2
Alfabeta NameMETHYLFLUORONITROBENZENECARBOXYLATE 25---
MDL NumberMFCD06203689
Synonym Methyl 2-fluoro-5-nitrobenzenecarboxylate {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {} {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-5-nitrobenzenecarboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluor
Chemical Name Translation2-氟-5-硝基苯甲酸甲酯
Reaxys-RN1966319
PubChem Substance ID11217860
LabNetwork Molecule IDLN00149578
InChIInChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
Canonical SMILESCOC(C1=C(F)C=CC([N+]([O-])=O)=C1)=O
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分类

  • {KO} Nitros
  • {KO} Esters

安全信息

Warnings IRRITANT
Signal word
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
0
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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